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Chemical ID: 5833787

Chemical ID:

5833787

Name [?]:

4-[2-(5-chloro-2-methyl-phenyl)aminothiazol-4-yl]benzene-1,2-diol

SMILES [?]:

Cc1ccc(cc1Nc2nc(cs2)c3ccc(c(c3)O)O)Cl

InChi [?]:

InChI=1/C16H13ClN2O2S/c1-9-2-4-11(17)7-12(9)18-16-19-13(8-22-16)10-3-5-14(20)15(21)6-10/h2-8,20-21H,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,3,15,4,16,19,6,12,2,14,5,7,11,17,18,9,22,8,10,21,20,13/rA:22nCCCCCCCNCNCCSCCCCCCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃ClN₂O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.42306
Area:	519.346
Solvation:	-3.5606
Coulombic:	-50.8048

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	332.805
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	4.53
LogP (Chemaxon):	5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value